CID 72219426

2121514-67-6

Structural Information

Molecular Formula

C₁₂H₁₆BFO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)O)F

InChI

InChI=1S/C12H16BFO3/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9(15)10(8)14/h5-7,15H,1-4H3

InChIKey

YMBJGACWPPFGDC-UHFFFAOYSA-N

Compound name

2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 238.11765 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.124926	145.7
[M+Na]+	261.106868	156.2
[M-H]-	237.110374	152.4
[M+NH4]+	256.151473	166.8
[M+K]+	277.080808	155.9
[M+H-H2O]+	221.114910	141.3
[M+HCOO]-	283.115851	164.7
[M+CH3COO]-	297.131501	189.4
[M+Na-2H]-	259.092316	151.1
[M]+	238.11710142	147.5
[M]-	238.11819858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe